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Quick Search ZINC ID or SMILES

Synonyms (19)
Vendors (45)
Annotations (14)
Representations (1)
Notes (13)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (4)

ZINC38338719

38338719

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
January 15^th, 2010	13	Yes

Popular Name: 4-Aminobiphenyl 4-Aminobiphenyl

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2113-61-3 , 6373-50-8 , 92-67-1 , [92-67-1]

Other Names:

(1,1'-Biphenyl)-4-amine hydrochloride; 4-Amino-1,1'-biphenyl hydrochloride; 4-Aminobiphenyl hydrochloride; 4-Aminodiphenyl.HCl; 4-Biphenylamine, hydrochloride; LS-7192; biphenyl-4-amine hydrochloride; p-Aminobiphenyl hydrochloride

(1,1'-Biphenyl)-4-amine; 4-Amino-1,1'-biphenyl; 4-Aminobifenyl [Czech]; 4-Aminobiphenyl; 4-Aminodifenil [Spanish]; 4-Aminodiphenyl; 4-BIPHENYLAMINE (SEE ALSO: 2-BIPHENYLAMINE (90-41-5) & 2-BIPHENYLAMINE HCL (2185-92-4)); 4-Bifenylamin [Czech]; 4-Biphenyla

(1,1'-Biphenyl)-4-amine;(4-phenyl-phenyl)-amine;4-Amino-1,1'-biphenyl;4-Aminobifenyl;4-Aminobifenyl [Czech];4-Aminodifenil;4-Aminodifenil (spanish);4-Aminodifenil [Spanish];4-Aminodiphenyl;4-Bifenylamin;4-Bifenylamin [Czech];4-Biphenylamine;4-Biphenylamin

1,1'-biphenyl-4-amine hydrochloride

4-Aminobiphenyl, 98%

4-Aminobiphenyl; 4-amino-1,1'-biphenyl; 4-aminodiphenyl; 4-biphenylamine; biphenyl-4-ylamine; p-aminodiphenyl; p-biphenylamine; p-phenylaniline; p-xenylamine; paraaminodiphenyl

4-Aminobiphenyl; 92-67-1; C10998

4-Aminodiphenyl

4-Biphenylylamine

4-Cyclohexylaniline

4-phenylaniline

biphenyl-4-amine

Biphenyl-4-ylamine

[1,1'-biphenyl]-4-amine

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	5.78	-4.24	2	1	0	26	169.227	1	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Boiling_Point	191?/15mm	Alfa-Aesar
Boiling_Point	191°/15mm	Alfa-Aesar
MP	274 - 276	Enamine Building Blocks
MP	274...276	Enamine Building Blocks
MP	52 - 54	Enamine Building Blocks
Melting_Point	52-54?	Alfa-Aesar
Melting_Point	52-54°	Alfa-Aesar
MP	52...54	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	97%	Fluorochem
PUBCHEM_PATENT_ID	EP0075173A2; US4740592; US4757136; US4775746; US4863634; US4902786; WO1996001825A1; WO2000012497A2; WO2000069849A1	IBM Patent Data
Reactome Database Links	REACT_1437	ChEBI
Patent Database Links	US2002155065; WO2006070381	ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description	Species
Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2	Xenopus tropicalis Rattus norvegicus Mus musculus Drosophila melanogaster Caenorhabditis elegans Homo sapiens Danio rerio Gallus gallus Taeniopygia guttata Bos taurus Sus scrofa Canis familiaris

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (19)
Vendors (45)
Annotations (14)
Representations (1)
Notes (13)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (4)